2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C15H15ClN4 — CID 117101759

IUPAC2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESClc1nc2c(c(N3CCc4ccccc43)n1)CCNC2
InChIInChI=1S/C15H15ClN4/c16-15-18-12-9-17-7-5-11(12)14(19-15)20-8-6-10-3-1-2-4-13(10)20/h1-4,17H,5-9H2
InChIKeyRXCQDHUHJQXZNV-UHFFFAOYSA-N
MW286.77 g/mol
LogP2.47
Rot. Bonds1

About 2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 117101759) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID117101759
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESClc1nc2c(c(N3CCc4ccccc43)n1)CCNC2
InChIInChI=1S/C15H15ClN4/c16-15-18-12-9-17-7-5-11(12)14(19-15)20-8-6-10-3-1-2-4-13(10)20/h1-4,17H,5-9H2
InChIKeyRXCQDHUHJQXZNV-UHFFFAOYSA-N
XLogP2.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 117101759) is 2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is Clc1nc2c(c(N3CCc4ccccc43)n1)CCNC2.
What is the InChIKey of 2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is RXCQDHUHJQXZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c16-15-18-12-9-17-7-5-11(12)14(19-15)20-8-6-10-3-1-2-4-13(10)20/h1-4,17H,5-9H2.
What are the key properties of 2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 286.77 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 117101759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).